Information card for entry 4308195

Structure parameters

• Formula: C52 H32 Ag4 F12 O12 S4
• Calculated formula: C52 H32 Ag4 F12 O12 S4
• SMILES: C(S1(=O)[O]2[Ag]3([cH]4c5c6c(cc4)cc[cH]4[Ag]([cH]7c8c9c(cc7)cc[cH]3c9[C@@H]3[C@H]8[C@@H]([C@H]53)c64)([O]=1)OS(=O)(=O)C(F)(F)F)[O]1S(C(F)(F)F)(=O)O[Ag]3([cH]4c5c6c(cc4)cc[cH]4[Ag]21[cH]1c2c7c(cc1)cc[cH]3c7[C@@H]1[C@H]5[C@@H]([C@H]21)c64)OS(=O)(=O)C(F)(F)F)(F)(F)F
• Title of publication: Enhanced Silver Ion Binding to a Rigid Bisarene Molecular Cleft with Formation of Nonpolar Pleated Sheets through Non-Ionic Intermolecular Forces
• Authors of publication: Adolf Gogoll; Prasad Polavarapu; Helena Grennberg
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 5271 - 5275
• a: 16.6087 ± 0.0002 Å
• b: 17.4331 ± 0.0001 Å
• c: 18.413 ± 0.0002 Å
• α: 90°
• β: 102.542 ± 0.001°
• γ: 90°
• Cell volume: 5204.1 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0787
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1504
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No